Molecule

ID:9602

General Information
Structure
MolImage
Molecular Formula
C₈F₁₄O₃
Molecular Mass
410.0614448
Exact Mass
409.96238894
Charge
0
InChI
InChI=1S/C8F14O3/c9-3(10,5(13,14)7(17,18)19)1(23)25-2(24)4(11,12)6(15,16)8(20,21)22
InChIKey
UFFSXJKVKBQEHC-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
O=C(C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.754709
LogD (pH = 7.4)
4.754709
Log P
4.754709
Molar Refractivity
42.7744
Polarizability
17.03914
Polar Surface Area
43.37
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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